2,6-dichloro-[1,3]oxazolo[4,5-b]pyridine

• ChemBase ID: 243036
• Molecular Formular: C6H2Cl2N2O
• Molecular Mass: 188.99888
• Monoisotopic Mass: 187.95441805
• SMILES: n1c(oc2c1ncc(c2)Cl)Cl
• Canonical SMILES: Clc1cnc2c(c1)oc(n2)Cl
• InChI: InChI=1S/C6H2Cl2N2O/c7-3-1-4-5(9-2-3)10-6(8)11-4/h1-2H
• InChIKey: UXHZPPFUUBFDIP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dichloro-[1,3]oxazolo[4,5-b]pyridine
• IUPAC Traditional name: 2,6-dichloro-[1,3]oxazolo[4,5-b]pyridine
• Synonyms: 2,6-dichloro-[1,3]oxazolo[4,5-b]pyridine

Database IDs

• MDL Number: MFCD18262175
• PubChem SID: 164298946
• PubChem CID: 71757148

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.9452566
• LogD (pH = 7.4): 1.9452566
• Log P: 1.9452566
• Molar Refractivity: 41.9697 cm^3
• Polarizability: 16.306398 Å^3
• Polar Surface Area: 38.92 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 68 - 70°C
• Hydrophobicity(logP): 1.812

Product Information

• Purity: 95%